{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 7.07152 6.597703 6.30405 6.090695 5.923024 5.784882 5.66741 5.565218 5.474787 5.393685 5.320167 5.252935 5.190998 5.133583 5.080074 5.029974 4.982873 4.938433 4.89637 4.856441 4.818441 4.782193 4.74754 4.71435 4.691755 4.667974 4.642877 4.616309 4.588087 4.557991 4.525754 4.491049 4.453466 4.412483 4.367425 4.317391 4.261142 4.196915 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.07152e-10 6.597703000000001e-10 6.304050000000001e-10 6.090695e-10 5.923024000000001e-10 5.784882e-10 5.667410000000001e-10 5.565218e-10 5.474787000000001e-10 5.393685e-10 5.320167e-10 5.252935e-10 5.190997999999999e-10 5.133582999999999e-10 5.080074e-10 5.029974e-10 4.982873e-10 4.938433e-10 4.896370000000001e-10 4.856441000000001e-10 4.818441e-10 4.782193e-10 4.74754e-10 4.714349999999999e-10 4.691754999999999e-10 4.667974e-10 4.6428770000000005e-10 4.616309e-10 4.588087e-10 4.5579910000000004e-10 4.5257540000000004e-10 4.4910490000000004e-10 4.4534659999999997e-10 4.4124830000000003e-10 4.367425e-10 4.3173909999999997e-10 4.2611420000000004e-10 4.196915e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00618049 0.00926418 0.0119744 0.0144583 0.0167801 0.0189551 0.0210069 0.0229355 0.0247472 0.0264455 0.0280341 0.0295163 0.0308879 0.0321484 0.0333016 0.0343456 0.0352743 0.036086 0.0367784 0.0373495 0.0377966 0.0381174 0.038315 0.0383817 0.0383481 0.038235 0.0380199 0.0376726 0.0371549 0.0364111 0.0353649 0.0339092 0.0318893 0.0290754 0.0251147 0.0194475 0.0111298 -0.00150542 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.902236583088193e-22 1.4842852606882946e-21 1.918510372810752e-21 2.3164750236512642e-21 2.688468391468608e-21 3.036941806492608e-21 3.365676405548352e-21 3.67467218863584e-21 3.9649385270261764e-21 4.23703618253664e-21 4.491557960516928e-21 4.729032579251904e-21 4.948787124560832e-21 5.150741487612673e-21 5.335504495523328e-21 5.502771734734848e-21 5.6515658775085445e-21 5.7816145538188804e-21 5.892549263043073e-21 5.98404956985696e-21 6.055682886572929e-21 6.107080712568193e-21 6.138739722595201e-21 6.149426240655936e-21 6.144042927210049e-21 6.1259223096288e-21 6.0914594905153926e-21 6.035815896475009e-21 5.952871212816192e-21 5.833701315761088e-21 5.666081597692992e-21 5.432852747003137e-21 5.1092290913677446e-21 4.6583926120408325e-21 4.023818517840576e-21 3.1158329833008003e-21 1.783190535417984e-21 -2.411948728484736e-22 ] } }